CID 45051015

N-(2-bromophenyl)-3-(4-phenyl-2-thienyl)-2-propenamide

Structural Information

Molecular Formula
C19H14BrNOS
SMILES
C1=CC=C(C=C1)C2=CSC(=C2)/C=C/C(=O)NC3=CC=CC=C3Br
InChI
InChI=1S/C19H14BrNOS/c20-17-8-4-5-9-18(17)21-19(22)11-10-16-12-15(13-23-16)14-6-2-1-3-7-14/h1-13H,(H,21,22)/b11-10+
InChIKey
OSVFNBGLMFCHKI-ZHACJKMWSA-N
Compound name
(E)-N-(2-bromophenyl)-3-(4-phenylthiophen-2-yl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.99796 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.00524 177.5
[M+Na]+ 405.98718 188.3
[M-H]- 381.99068 189.8
[M+NH4]+ 401.03178 195.1
[M+K]+ 421.96112 174.2
[M+H-H2O]+ 365.99522 176.4
[M+HCOO]- 427.99616 195.9
[M+CH3COO]- 442.01181 190.7
[M+Na-2H]- 403.97263 179.6
[M]+ 382.99741 197.0
[M]- 382.99851 197.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.